Electronic and optical properties of core–shell InAlN nanorods: a comparative study <i>via</i> LDA, LDA-1/2, mBJ, HSE06, <i>G</i><sub>0</sub><i>W</i><sub>0</sub> and BSE methods
Ronaldo Rodrigues Pelá, Ching‐Lien Hsiao, Lars Hultman, Jens Birch, Gueorgui K. Gueorguiev
Abstract
The DFT-based approaches LDA-1/2, mBJ, and HSE06 are valuable tools for investigating the electronic and optical properties of core–shell InAlN nanorods. They can approximate the state-of-the-art methods GW and BSE with much lower computational cost.
Topics & Concepts
NanorodHybrid functionalCore (optical fiber)Materials scienceShell (structure)NanotechnologyOptoelectronicsMolecular physicsDensity functional theoryPhysicsQuantum mechanicsComposite materialGaN-based semiconductor devices and materialsAcoustic Wave Resonator TechnologiesMetal and Thin Film Mechanics